methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate

C9H18N2O4S — CID 43431574

IUPACmethyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H18N2O4S/c1-8-4-3-5-11(7-8)16(13,14)10-6-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyRIFRJWUFTBFNRD-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.27
Rot. Bonds4

About methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate

methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate (PubChem CID 43431574) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
PubChem CID43431574
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C9H18N2O4S/c1-8-4-3-5-11(7-8)16(13,14)10-6-9(12)15-2/h8,10H,3-7H2,1-2H3
InChIKeyRIFRJWUFTBFNRD-UHFFFAOYSA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
methyl 2-[[(2R)-2-methylaziridin-1-yl]sulfonylamino]acetate
CID 130470227

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate (CID 43431574) is methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate?
The InChIKey is RIFRJWUFTBFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8-4-3-5-11(7-8)16(13,14)10-6-9(12)15-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate?
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate has a molecular weight of 250.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate is sourced from PubChem (CID 43431574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).